N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide

C16H14F4N2O2 — CID 30644517

IUPACN-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide
SMILESO=C(CNc1ccccc1OC(F)(F)F)NCc1ccc(F)cc1
InChIInChI=1S/C16H14F4N2O2/c17-12-7-5-11(6-8-12)9-22-15(23)10-21-13-3-1-2-4-14(13)24-16(18,19)20/h1-8,21H,9-10H2,(H,22,23)
InChIKeyKBWHIEPHAOWMHM-UHFFFAOYSA-N
MW342.29 g/mol
LogP3.45
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide

N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide (PubChem CID 30644517) has the molecular formula C16H14F4N2O2 and a molecular weight of 342.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide
PubChem CID30644517
Molecular FormulaC16H14F4N2O2
Molecular Weight342.29 g/mol
Exact Mass342.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide
SMILESO=C(CNc1ccccc1OC(F)(F)F)NCc1ccc(F)cc1
InChIInChI=1S/C16H14F4N2O2/c17-12-7-5-11(6-8-12)9-22-15(23)10-21-13-3-1-2-4-14(13)24-16(18,19)20/h1-8,21H,9-10H2,(H,22,23)
InChIKeyKBWHIEPHAOWMHM-UHFFFAOYSA-N
XLogP3.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 28577768
2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 108997912
N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 55506183
methyl 2-[2-(trifluoromethoxy)anilino]acetate
CID 28577783
1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 3859950
N-[(4-fluorophenyl)methyl]-2-(2-piperidin-1-ylanilino)acetamide
CID 26438085
N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644748
N-[2-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109000567
N-[(4-fluorophenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide
CID 108997897
2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54831154
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline
CID 60874127

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide (CID 30644517) is N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide is O=C(CNc1ccccc1OC(F)(F)F)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide?
The InChIKey is KBWHIEPHAOWMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O2/c17-12-7-5-11(6-8-12)9-22-15(23)10-21-13-3-1-2-4-14(13)24-16(18,19)20/h1-8,21H,9-10H2,(H,22,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide?
N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide has a molecular weight of 342.29 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide is sourced from PubChem (CID 30644517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).